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Information card for entry 7054819
Preview
| Coordinates | 7054819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H60 Ir N2 Sc Si2 |
|---|---|
| Calculated formula | C35 H60 Ir N2 Sc Si2 |
| SMILES | [Ir]12345(N(C(C)(C)C)[Sc]6789([n]%10ccccc%10)(C1[Si](C)(C)C)[c]1([c]6([c]9([c]8([c]71C)C)C)C)[Si](C)(C)C)[c]1([c]3([c]4([c]5([c]21C)C)C)C)C |
| Title of publication | Rare-earth‒iridium heterobimetallic complexes with bridging imido and silylmethyl ligands: synthesis, structure and reactivity |
| Authors of publication | Shima, Takanori; Yanagi, Takako; Hou, Zhaomin |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 10 |
| Pages of publication | 7608 |
| a | 9.6879 ± 0.001 Å |
| b | 10.9527 ± 0.0011 Å |
| c | 18.836 ± 0.002 Å |
| α | 73.159 ± 0.001° |
| β | 85.811 ± 0.002° |
| γ | 78.961 ± 0.001° |
| Cell volume | 1877.2 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0784 |
| Residual factor for significantly intense reflections | 0.0733 |
| Weighted residual factors for significantly intense reflections | 0.2075 |
| Weighted residual factors for all reflections included in the refinement | 0.2178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7054819.cif |
| 162092 | 2015-10-09 | cif/ Updating files of 7054818, 7054819, 7054820, 7054821, 7054822 Original log message: Adding full bibliography for 7054818--7054822.cif. |
7054819.cif |
| 135964 | 2015-05-09 | cif/ Adding structures of 7054818, 7054819, 7054820, 7054821, 7054822 via cif-deposit CGI script. |
7054819.cif |
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Users of the data should acknowledge the original authors of the
structural data.